| SpectraBase Compound ID | KgFtcipGOmw |
|---|---|
| InChI | InChI=1S/C36H56O9/c1-31(2)14-16-36(30(42)43)17-15-34(6)19(20(36)18-31)8-9-22-33(5)12-11-23(32(3,4)21(33)10-13-35(22,34)7)44-29-26(39)24(37)25(38)27(45-29)28(40)41/h8,20-27,29,37-39H,9-18H2,1-7H3,(H,40,41)(H,42,43)/t20-,21-,22+,23-,24-,25-,26+,27-,29+,33-,34+,35+,36-/m0/s1 |
| InChIKey | IUCHKMAZAWJNBJ-RCYXVVTDSA-N |
| Mol Weight | 632.8 g/mol |
| Molecular Formula | C36H56O9 |
| Exact Mass | 632.392433 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kj5b6uHV09x |
|---|---|
| Name | CALENDULOSIDE-E;3-O-BETA-D-GLUCURONOPYRANOSYL-OLEANOLIC-ACID |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H56O9 |
| InChI | InChI=1S/C36H56O9/c1-31(2)14-16-36(30(42)43)17-15-34(6)19(20(36)18-31)8-9-22-33(5)12-11-23(32(3,4)21(33)10-13-35(22,34)7)44-29-26(39)24(37)25(38)27(45-29)28(40)41/h8,20-27,29,37-39H,9-18H2,1-7H3,(H,40,41)(H,42,43)/t20-,21-,22+,23-,24-,25-,26+,27-,29+,33-,34+,35+,36-/m0/s1 |
| InChIKey | IUCHKMAZAWJNBJ-RCYXVVTDSA-N |
| Literature Reference Author | C.LAVAUD,L.VOUTQUENNE,P.BAL,I.POUNY |
| Literature Reference Citation | FITOTERAPIA,71,338(2000) |
| Literature Reference DOI | 10.1016/S0367-326X(99)00166-5 |
| Molecular Weight | 632.835 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN3829 |